Unknown

Dataset Information

0

Santal monohydrate, an isoflavone isolated from Wye-thia mollis.

ABSTRACT: THE TITLE COMPOUND [SYSTEMATIC NAME: 3-(3,4-di-hydroxy-phen-yl)-5-hy-droxy-7-meth-oxy-4H-chromen-4-one monohydrate], C16H12O6·H2O, is a monohydrate of a natural product santal isolated from Wye-thia mollis. In the santal mol-ecule, the dihedral angle between the benzo-quinone and di-hydroxy-phenyl fragments is 53.9?(1)° and an intra-molecular O-H?O hydrogen bond occurs. In the crystal, O-H?O hydrogen bonds link the components into corrugated layers parallel to the ac plane. The short distance of 3.474?(5)?Å between the centroids of the benzene rings in neighbouring santal mol-ecules reveals then existence of ?-? inter-actions within the layers.

SUBMITTER: Knight KS 

PROVIDER: S-EPMC3998461 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

Santal monohydrate, an isoflavone isolated from Wye-thia mollis.

Knight Kyle S KS   Smith Cole T CT   Waddell Thomas G TG   Noll Bruce B  

Acta crystallographica. Section E, Structure reports online 20140208 Pt 3

THE TITLE COMPOUND [SYSTEMATIC NAME: 3-(3,4-di-hydroxy-phen-yl)-5-hy-droxy-7-meth-oxy-4H-chromen-4-one monohydrate], C16H12O6·H2O, is a monohydrate of a natural product santal isolated from Wye-thia mollis. In the santal mol-ecule, the dihedral angle between the benzo-quinone and di-hydroxy-phenyl fragments is 53.9 (1)° and an intra-molecular O-H⋯O hydrogen bond occurs. In the crystal, O-H⋯O hydrogen bonds link the components into corrugated layers parallel to the ac plane. The short distance of  ...[more]

Similar Datasets

Unknown Tectorigenin monohydrate: an isoflavone from Belamcanda chinensis.
| S-EPMC2959614 | biostudies-literature
Unknown 2-(1,3-Thia-zol-4-yl)benzimidazolium nitrate monohydrate.
| S-EPMC2984023 | biostudies-literature
Unknown 3,5-Dinitro-N-(1,3-thia-zol-2-yl)benzamide monohydrate.
| S-EPMC3052084 | biostudies-literature
Unknown Bis(2-amino-pyridinium) 5,5'-disulfanediylbis(1,3,4-thia-diazole-2-thiol-ate) monohydrate.
| S-EPMC3100049 | biostudies-literature
Unknown 2-Amino-5-ethoxy-carbonyl-4-methyl-thia-zol-3-ium chloride monohydrate.
| S-EPMC2977512 | biostudies-literature
Unknown N-(2,6-Dimethyl-anilino)-5,6-dihydro-4H-1,3-thia-zin-3-ium chloride monohydrate.
| S-EPMC2961393 | biostudies-literature
Unknown Tris(2-amino-1,3-thia-zolium) hydrogen sulfate sulfate monohydrate.
| S-EPMC3238880 | biostudies-other
Unknown 3-(2-Methyl-1,3-benzo-thia-zol-3-ium-3-yl)propane-1-sulfonate monohydrate.
| S-EPMC4051035 | biostudies-literature
Unknown 5-(4-Hy-droxy-3-meth-oxy-benz-yl)-1,3-thia-zolidine-2,4-dione monohydrate.
| S-EPMC3050404 | biostudies-literature
Unknown 2-(3-Oxo-3,4-dihydro-2H-1,4-benzo-thia-zin-4-yl)acetic acid monohydrate.
| S-EPMC2970497 | biostudies-literature